UCSF

ZINC04426104

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 12 Yes

Popular Name: 4-methyl-2H-1,4-benzoxazin-3(4H)-one 4-methyl-2H-1,4-benzoxazin-3(4H)…

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CAS Numbers: 21744-84-3 , [21744-84-3]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 3.46 -7.48 0 3 0 30 163.176 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 58-60? Alfa-Aesar
Melting_Point 58-60° Alfa-Aesar
melting_point 60 KeyOrganics
Purity 97% Fluorochem

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Analogs ( Draw Identity 99% 90% 80% 70% )